在BioDeep NovoCell知识数据库中,参考离子总共被划分为4个级别。
  • Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
  • Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
  • Unreliable: 这个参考离子具有较高的排名价值,但缺乏可重复性。
  • Unavailable: 由于排名价值低且缺乏可重复性,这个参考离子不应用于注释。

Found 14 Reference Ions Near m/z 822.5726
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058151 Reliable 822.5704 822.5703 ~ 822.5706
MzDiff: 1.1 ppm
PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210967)
Formula: C46H80NO9P (821.557)
4.59 (75%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047553 Unreliable 822.571 822.571 ~ 822.571
MzDiff: none
PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210967)
Formula: C46H80NO9P (821.557)
2.24 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047594 Unreliable 822.5792 822.5792 ~ 822.5792
MzDiff: none
DG(21:0/LTE4/0:0) (BioDeep_00000221502)
Formula: C47H83NO8S (821.5839)
2.22 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052277 Unreliable 822.5677 822.5677 ~ 822.5677
MzDiff: none
PG(i-19:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000196826)
Formula: C43H83O12P (822.5622)
2.23 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052405 Unreliable 822.5775 822.5775 ~ 822.5775
MzDiff: none
PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210967)
Formula: C46H80NO9P (821.557)
2.07 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065546 Unreliable 822.5784 822.5783 ~ 822.5785
MzDiff: 0.8 ppm
PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210967)
Formula: C46H80NO9P (821.557)
2.63 (67%) Homo sapiens
[UBERON:0001155] colon
MSI_000009198 Unreliable 822.5708 822.5708 ~ 822.5708
MzDiff: none
PC(20:2/22:6) (BioDeep_00001980070)
Formula: C50H84NO8P (857.5934)
2.96 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000043732 Unreliable 822.5822 822.5822 ~ 822.5822
MzDiff: none
DG(21:0/LTE4/0:0) (BioDeep_00000221502)
Formula: C47H83NO8S (821.5839)
1.34 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056724 Unreliable 822.5754 822.5751 ~ 822.5757
MzDiff: 2.3 ppm
DG(21:0/LTE4/0:0) (BioDeep_00000221502)
Formula: C47H83NO8S (821.5839)
2.94 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000000637 Unavailable 822.5708 822.5708 ~ 822.5708
MzDiff: none
PC(20:2/22:6) (BioDeep_00001980070)
Formula: C50H84NO8P (857.5934)
-0.52 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000043580 Unreliable 822.5811 822.5811 ~ 822.5811
MzDiff: none
DG(21:0/LTE4/0:0) (BioDeep_00000221502)
Formula: C47H83NO8S (821.5839)
1.43 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000044408 Unavailable 822.5644 822.5644 ~ 822.5644
MzDiff: none
PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210967)
Formula: C46H80NO9P (821.557)
-0.16 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000055950 Unavailable 822.5689 822.5689 ~ 822.5689
MzDiff: none
Not Annotated -0.42 (0%) Homo sapiens
[UBERON:0007779] transudate
MSI_000056007 Unavailable 822.5751 822.5751 ~ 822.5751
MzDiff: none
PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210967)
Formula: C46H80NO9P (821.557)
-0.48 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 18 Sample Hits
Metabolite Species Sample
PC(20:2/22:6)

Formula: C50H84NO8P (857.5934)
Adducts: [M+H-2H2O]+ (Ppm: 10.7)
Mus musculus (Urinary bladder)
HR2MSI_mouse_urinary_bladder - S096
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 7.3)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

DG(21:0/LTE4/0:0)

Formula: C47H83NO8S (821.5839)
Adducts: [M+H]+ (Ppm: 18.8)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 8.1)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 12.3)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

PG(i-19:0/18:1(12Z)-2OH(9,10))

Formula: C43H83O12P (822.5622)
Adducts: [M]+ (Ppm: 7.4)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 16)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

PC(16:0/20:3(6,8,11)-OH(5))

Formula: C44H82NO9P (799.5727)
Adducts: [M+Na]+ (Ppm: 13)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 11.8)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 13.1)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 17)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 9)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

m/z_822.5723

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 7.5)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

m/z_822.5706

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

m/z_822.5712

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PC(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H80NO9P (821.557)
Adducts: [M+H]+ (Ppm: 16)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

DG(21:0/LTE4/0:0)

Formula: C47H83NO8S (821.5839)
Adducts: [M+H]+ (Ppm: 15.4)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description